![N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide structure](/static/products/877/877808-89-4.png)
N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
TL;DR: N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide (CAS 877808-89-4) is a chemical compound with molecular formula C25H26ClN5O3 and molecular weight 479.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-6-imino-2-oxo-7-(3-propan-2-yloxypropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, N-(2-CHLOROBENZYL)-2-IMINO-1-(3-ISOPROPOXYPROPYL)-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE, N-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-(2-chlorobenzyl)-2-imino-5-oxo-1-[3-(propan-2-yloxy)propyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C25H26ClN5O3 |
|---|---|
| Molecular Weight | 479.17 g/mol |
| LogP | 3.52717 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.17242 |
| Heavy Atoms | 34 |
| Complexity | 1475.4158 |
Chemical Identifiers
| CAS Number | 877808-89-4 |
|---|---|
| SMILES | CC(C)OCCCN1C2=C(C=C(C1=N)C(=O)NCC3=CC=CC=C3Cl)C(=O)N4C=CC=CC4=N2 |
Product Overview
N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide (CAS 877808-89-4), with molecular formula C25H26ClN5O3 and molecular weight 479.17 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-6-imino-2-oxo-7-(3-propan-2-yloxypropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
Property Insights of N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
The XLogP value of 3.52717 indicates that N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide. Following Lipinski's Rule of Five, N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide?
The CAS number of N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide is 877808-89-4.
What is the molecular formula of N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide?
The molecular formula of N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide is C25H26ClN5O3.
What is the molecular weight of N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide?
The molecular weight of N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide is 479.17 g/mol.
Where can I buy N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide?
You can request a quote for N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N~3~-(2-chlorobenzyl)-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.